2-[4-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[(4-chlorophenyl)sulfonylamino]propyl]sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[(4-chlorophenyl)sulfonylamino]propyl]sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]propyl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[3-[(4-chlorophenyl)sulfonylamino]-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]propyl]thio]methyl]phenyl]acetic acid Formula: C35H30Cl2N2O4S2 MolecularWeight: 677.6597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCNS(=O)(=O)C2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)CC(=O)O)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(CCNS(=O)(=O)C2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)CC(=O)O)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C35H30Cl2N2O4S2/c36-29-12-16-32(17-13-29)45(42,43)38-19-18-34(44-23-26-6-4-25(5-7-26)21-35(40)41)28-3-1-2-24(20-28)8-14-31-15-10-27-9-11-30(37)22-33(27)39-31/h1-17,20,22,34,38H,18-19,21,23H2,(H,40,41)/b14-8+